Concept information
Preferred term
n-[(2s,3r,4s,5r)-4-[(2s,3s,4s,5r,6r)-6-[[(2s,3s,4s,5r,6r)-3,5-dihydroxy-4-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-1,3,5,6-tetrahydroxyhexan-2-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C44H77NO36
inchi
- InChI=1S/C44H77NO36/c1-10(51)45-11(2-46)19(53)36(12(52)3-47)79-44-35(69)38(81-43-33(67)29(63)23(57)16(77-43)7-70-39-30(64)26(60)20(54)13(4-48)73-39)25(59)18(78-44)9-72-41-34(68)37(80-42-32(66)28(62)22(56)15(6-50)75-42)24(58)17(76-41)8-71-40-31(65)27(61)21(55)14(5-49)74-40/h11-44,46-50,52-69H,2-9H2,1H3,(H,45,51)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36+,37-,38-,39-,40-,41-,42+,43+,44-/m0/s1
inchikey
- OBVYSAWJMFKJSS-QHWCMJPZSA-N
mass
- 1196.071
monoisotopicmass
- 1195.42253
smiles
- O([C@H]1[C@H](O)[C@H](O[C@@H](O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO)[C@H]1O)CO[C@H]2O[C@@H]([C@@H](O)[C@H](O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO)[C@@H]2O)CO[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O)CO)[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O)CO[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/3,7,6/[h2122h_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-3-3-3-3/a4-b1_b3-c1_b6-e1_c6-d1_e3-f1_e6-g1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:149256
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